N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide

C19H20F2N4O2 — CID 86263493

IUPACN'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N4O2/c20-14-1-2-16(21)17(11-14)24-19(27)18(26)23-12-13-5-9-25(10-6-13)15-3-7-22-8-4-15/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,23,26)(H,24,27)
InChIKeyQIXLPRNPNGDCSV-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.33
Rot. Bonds4

About N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide

N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 86263493) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
PubChem CID86263493
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC NameN'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N4O2/c20-14-1-2-16(21)17(11-14)24-19(27)18(26)23-12-13-5-9-25(10-6-13)15-3-7-22-8-4-15/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,23,26)(H,24,27)
InChIKeyQIXLPRNPNGDCSV-UHFFFAOYSA-N
XLogP2.33
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide (CID 86263493) is N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide is O=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is QIXLPRNPNGDCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-14-1-2-16(21)17(11-14)24-19(27)18(26)23-12-13-5-9-25(10-6-13)15-3-7-22-8-4-15/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,23,26)(H,24,27).
What are the key properties of N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 374.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 86263493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).